Information card for entry 4125371

Structure parameters

• Formula: C88 H124 F N5 O20 P4 Zn4
• Calculated formula: C88 H124 F N5 O20 P4 Zn4
• SMILES: c1(c(cccc1C(C)C)C(C)C)OP12=[O][Zn]34([F]56[Zn]7([n]8cc(ccc8)C=O)(O1)[O]=P(Oc1c(cccc1C(C)C)C(C)C)(O4)O[Zn]16([n]4cc(ccc4)C=O)[O]=P(Oc4c(cccc4C(C)C)C(C)C)(O[Zn]5(O2)([n]2cc(ccc2)C=O)[O]=P(O7)(Oc2c(cccc2C(C)C)C(C)C)O1)O3)[n]1cc(ccc1)C=O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.
• Authors of publication: Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 59 - 62
• a: 24.471 ± 0.004 Å
• b: 21.59 ± 0.003 Å
• c: 18.982 ± 0.003 Å
• α: 90°
• β: 90.508 ± 0.003°
• γ: 90°
• Cell volume: 10028 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No